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ChemicalBook--->CAS DataBase List--->171596-28-4

171596-28-4

171596-28-4 Structure

171596-28-4 Structure
IdentificationBack Directory
[Name]

cis-ent-Tadalafil
[CAS]

171596-28-4
[Synonyms]

(6S,12aR)-
Tadalafil-003
6-epi-Tadalafil
cis-ent-Tadalafil
6S, 12R-Tadalafil
Tadalafil-003-6S12R
Tadanafil Impurity C
Calais EP Impurity C
Tadalafil IMpurity: IMpurity F
Tadalafil IMpurity E (6S, 12R)
Tadanafil EP or USP impurity C
6S,12R-Tadalafil (EP Impurity C)
Tadalafil NON-CORRESPONDING ISOMER
Tadalafil Impurity C (cis-ent-Tadalafil)
Tadalafil EP IMpurity C (cis-ent-tadalafil)
Tadalafil EP Impurity C (6S, 12R-Tadalafil)
Tadanafil EP Impurity C ((6S, 12R)-Tadanafil)
Tadalafil Impurity 11(Tadalafil EP Impurity C)
(6S,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
(6S,12aR)-6-(1,3-benzodioxol-5-yl)-2-Methyl-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione
(6S,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6S,12aR)-
(6S,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Tadalafil impurity 3/Tadalafil EP Impurity C/(6S,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
[Molecular Formula]

C22H19N3O4
[MDL Number]

MFCD21363860
[MOL File]

171596-28-4.mol
[Molecular Weight]

389.4
Chemical PropertiesBack Directory
[Melting point ]

287-289 °C(Solv: toluene (108-88-3))
[Boiling point ]

679.1±55.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

16.68±0.40(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21+/m1/s1
[InChIKey]

WOXKDUGGOYFFRN-IERDGZPVSA-N
[SMILES]

N1C2=C(C=CC=C2)C2C[C@]3([H])C(=O)N(C)CC(=O)N3[C@@H](C3=CC=C4OCOC4=C3)C1=2
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

The (6S)-cis-enantiomer of Tadalafil (T004500).
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